ethanedioic acid; 9-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]carbazole

Systemtic Name: ethanedioic acid; 9-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]carbazole Openeye Name: 9-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[(4-propylsulfonyl-1-piperazinyl)methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]carbazole; oxalic acid Traditional Name: 9-ethyl-3-[(4-propylsulfonylpiperazino)methyl]carbazole; oxalic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)N(C4=CC=CC=C43)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)N(C4=CC=CC=C43)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O2S.C2H2O4/c1-3-15-28(26,27)24-13-11-23(12-14-24)17-18-9-10-22-20(16-18)19-7-5-6-8-21(19)25(22)4-2;3-1(4)2(5)6/h5-10,16H,3-4,11-15,17H2,1-2H3;(H,3,4)(H,5,6)